3-(1-fluorobut-3-enyl)piperidine

C9H16FN — CID 112565511

IUPAC3-(1-fluorobut-3-enyl)piperidine
SMILESC=CCC(F)C1CCCNC1
InChIInChI=1S/C9H16FN/c1-2-4-9(10)8-5-3-6-11-7-8/h2,8-9,11H,1,3-7H2
InChIKeyYZVTXSFWMMNWDA-UHFFFAOYSA-N
MW157.23 g/mol
LogP1.90
Rot. Bonds3

About 3-(1-fluorobut-3-enyl)piperidine

3-(1-fluorobut-3-enyl)piperidine (PubChem CID 112565511) has the molecular formula C9H16FN and a molecular weight of 157.23 g/mol. Its IUPAC name is 3-(1-fluorobut-3-enyl)piperidine.

Molecular Properties

Compound Name3-(1-fluorobut-3-enyl)piperidine
PubChem CID112565511
Molecular FormulaC9H16FN
Molecular Weight157.23 g/mol
Exact Mass157.13
IUPAC Name3-(1-fluorobut-3-enyl)piperidine
SMILESC=CCC(F)C1CCCNC1
InChIInChI=1S/C9H16FN/c1-2-4-9(10)8-5-3-6-11-7-8/h2,8-9,11H,1,3-7H2
InChIKeyYZVTXSFWMMNWDA-UHFFFAOYSA-N
XLogP1.90
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.23
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 3-(1-fluorobut-3-enyl)piperidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(1-fluorobut-3-enyl)piperidine?
The IUPAC name of 3-(1-fluorobut-3-enyl)piperidine (CID 112565511) is 3-(1-fluorobut-3-enyl)piperidine.
What is the SMILES notation for 3-(1-fluorobut-3-enyl)piperidine?
The canonical SMILES for 3-(1-fluorobut-3-enyl)piperidine is C=CCC(F)C1CCCNC1.
What is the InChIKey of 3-(1-fluorobut-3-enyl)piperidine?
The InChIKey is YZVTXSFWMMNWDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16FN/c1-2-4-9(10)8-5-3-6-11-7-8/h2,8-9,11H,1,3-7H2.
What are the key properties of 3-(1-fluorobut-3-enyl)piperidine?
3-(1-fluorobut-3-enyl)piperidine has a molecular weight of 157.23 g/mol, XLogP of 1.90, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-fluorobut-3-enyl)piperidine is sourced from PubChem (CID 112565511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).